SCHEMBL26596991

SCHEMBL26596991

CC(C)(C)n1ccc2cc(N)ncc21

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.62
PDPK1 O15530 1/20 0.40
DGAT1 O75907 1/20 0.38
NOS3 P29474 2/20 0.34
NOS2 P35228 2/20 0.34
NOS1 P29475 1/20 0.34
PRKCI P41743 1/20 0.33
TTBK1 Q5TCY1 1/20 0.32
SRC P12931 4/20 0.32
ABL1 P00519 4/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 4/20 0.31
ROCK1 Q13464 1/20 0.31
FGFR1 P11362 1/20 0.31
AOC3 Q16853 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26596987 0.86 PIK3CB (0.49) PIK3CBPDPK1DGAT1NOS3NOS2
SCHEMBL18125595 0.79 PIK3CB (0.38) PIK3CBDGAT1MAPT
SCHEMBL3481247 0.77 PIK3CB (1.00) PIK3CBPDPK1NOS3NOS2NOS1
SCHEMBL31036072 0.77 PIK3CB (1.00) PIK3CBPDPK1NOS3NOS2NOS1
SCHEMBL1464920 0.73 PRKCI (0.58) PIK3CBDGAT1PRKCIKDM4EHSD17B10
SCHEMBL26607412 0.72 PIK3CB (0.62) PIK3CBPDPK1NOS3NOS2NOS1
SCHEMBL26638261 0.71 TTBK1 (0.44) PIK3CBPDPK1NOS3NOS2NOS1
SCHEMBL11966000 0.69 CYP19A1 (0.45) MAPT
SCHEMBL26596969 0.69 PRKCI (0.44) DGAT1PRKCIKDM4EHSD17B10MAPT
SCHEMBL18125585 0.69 CCR9 (0.32) PIK3CBDGAT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof Lakewood Amedex, Inc. (US) 2023-10-24 US disclosed
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof Lakewood Amedex, Inc. (US) 2023-10-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof CAT, MPO, NISCH PIK3CB 1787/4885PDPK1 4054/4885DGAT1 2485/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.